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159470-82-3 | 2-Pyrazineacetic acid, α-amino-, ethyl ester, hydrochloride (1:1)
CAS No: 159470-82-3 Catalog No: AG001R3Q MDL No:
Product Description
Catalog Number:
AG001R3Q
Chemical Name:
2-Pyrazineacetic acid, α-amino-, ethyl ester, hydrochloride (1:1)
CAS Number:
159470-82-3
Molecular Formula:
C8H12ClN3O2
Molecular Weight:
217.6528
IUPAC Name:
ethyl 2-amino-2-pyrazin-2-ylacetate;hydrochloride
InChI:
InChI=1S/C8H11N3O2.ClH/c1-2-13-8(12)7(9)6-5-10-3-4-11-6;/h3-5,7H,2,9H2,1H3;1H
InChI Key:
QJUPCPNROQKSCL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1cnccn1)N.Cl
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.653g/mol
Monoisotopic Mass:
217.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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